Results 151 to 160 of about 551,409 (217)

Pharmacophoric Investigation of a Natural Product-like Class of Aromatase Inhibitors Using Molecular Modeling. [PDF]

ACS Omega
Held A, Esselman A, Huebner M, Frietas G, Boyson B, Walker M, Miller B.   +6 more
europepmc   +1 more source

clusttraj: A Solvent-Informed Clustering Tool for Molecular Modeling. [PDF]

J Chem Theory Comput
Ribeiro RB, Cezar HM.
europepmc   +1 more source

Synthesis, Characterization and Molecular Modeling of Novel Oxoethyl methacrylate Polymers. [PDF]

ACS Omega
Kayacık Bi̇li̇r S, Çankaya N, Kebi̇roğlu MH.   +2 more
europepmc   +1 more source

Natural <i>versus</i> organophilized smectites as drug adsorbents: experiment and molecular modeling. [PDF]

RSC Adv
Tokarský J, Peikertová P, Výšková K, Davidová M, Vallová S.   +4 more
europepmc   +1 more source

Synthesis, Characterization, Antimicrobial Activity and Molecular Modeling Studies of Novel Indazole-Benzimidazole Hybrids. [PDF]

Antibiotics (Basel)
Er-Raqioui R, Roudani S, El Houssni I, Gumede NJ, Sert Y, Mendes RF, Chernyshov D, Paz FAA, Cavaleiro JAS, Faustino MDAF, El Mostapha R, Abouricha S, Karrouchi K, Neves MDGPMS, Moura NMM.   +14 more
europepmc   +1 more source

Thermodynamic principles of enzymatic regulation in biomolecular condensates from reaction-coupled molecular modeling

Lavagna E, Delfino F, Koniukov G, Paloni M, Ciandrini L, Barducci A.   +5 more
europepmc   +1 more source

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Molecular Modelling

Molecular BioSystems, 2006
This is chapter 3 of the book Structure Based Drug Discovery (Edited by Roderick E. Hubbard) which forms part of the RSC Biomolecular Sciences series. More information about this book and the whole series is available from www.rsc.org/biomolecularsciences, email: or the RSC Sales team(sales@rsc.org).
Xavier, Barril, Robert, Soliva
openaire   +3 more sources

Lipophilicity in Molecular Modeling

Pharmaceutical Research, 1996
The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions.The interest and applications of the MLP in molecular modeling are varied, as illustrated here.The MLP is a major tool to assess the dependence of lipophilicity ...
Testa, Bernard, Carrupt, Pierre-Alain, Gaillard, Patrick, Billois, F., Weber, P.   +4 more
openaire   +3 more sources

Molecular modelling and molecular dynamics of CFTR

Cellular and Molecular Life Sciences, 2016
The cystic fibrosis transmembrane conductance regulator (CFTR) protein is a member of the ATP-binding cassette (ABC) transporter superfamily that functions as an ATP-gated channel. Considerable progress has been made over the last years in the understanding of the molecular basis of the CFTR functions, as well as dysfunctions causing the common genetic
Isabelle, Callebaut, Brice, Hoffmann, Pierre, Lehn, Jean-Paul, Mornon   +3 more
openaire   +2 more sources